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	hartrees
Energy at 0K	-2810.847547
Energy at 298.15K
HF Energy	-2809.870783
Nuclear repulsion energy	259.923343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3207	3045	11.00	77.84	0.22	0.37
2	A'	1336	1269	85.81	2.45	0.29	0.45
3	A'	1140	1082	263.22	1.50	0.71	0.83
4	A'	744	706	113.82	10.22	0.22	0.36
5	A'	592	562	5.66	1.93	0.29	0.44
6	A'	334	317	0.09	4.38	0.32	0.48
7	A"	1405	1333	12.04	3.17	0.75	0.86
8	A"	1177	1118	207.15	1.40	0.75	0.86
9	A"	324	308	0.27	1.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.421	-0.900	0.000
H2	-1.498	-0.967	0.000
Br3	0.076	0.954	0.000
F4	0.076	-1.501	1.084
F5	0.076	-1.501	-1.084

	C1	H2	Br3	F4	F5
C1		1.0790	1.9189	1.3352	1.3352
H2	1.0790		2.4831	1.9839	1.9839
Br3	1.9189	2.4831		2.6837	2.6837
F4	1.3352	1.9839	2.6837		2.1671
F5	1.3352	1.9839	2.6837	2.1671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.573	H2	C1	F4	110.070
H2	C1	F5	110.070	Br3	C1	F4	109.816
Br3	C1	F5	109.816	F4	C1	F5	108.490

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CHBrF2 (Methane, bromodifluoro-)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)